Sample Slurm Scripts

See Example Slurm Scripts

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On this page are several scripts that can be used as a starting template for building your own SLURM submission scripts.

Simple Python Script

#!/bin/bash
#SBATCH --ntasks=1                                    # Run on a single CPU
#SBATCH --time=00:05:00                        # Time limit hrs:min:sec
#SBATCH --account="accountID"

JOBID=$( echo ${PBS_JOBID} | cut -f1 -d. )

module load Miniforge3
eval "$(conda shell.bash hook)"
conda activate myenv

# Change Directory to the working directory
cd ${PBS_O_WORKDIR} 

# Run your code
python path/to/your/python_file.py

 

Usage

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Python Script

On this page are several scripts that can be used as a starting template for building your own SLURM submission scripts.

Generic Python Script
#!/bin/bash
#SBATCH --job-name=serial_job_test     # Job name
#SBATCH --mail-type=END,FAIL               # Mail events (NONE, BEGIN, END, FAIL, ALL)
#SBATCH --mail-user=NetID@kennesaw.edu     # Where to send mail 
#SBATCH --ntasks=1                                     # Run on a single CPU
#SBATCH --mem=1gb                                 # Job memory request
#SBATCH --time=00:05:00                        # Time limit hrs:min:sec
#SBATCH --output=serial_test_%j.log    # Standard output and error log
pwd; hostname; date

JOBID=$( echo ${PBS_JOBID} | cut -f1 -d. )

module load MIniforge3
eval "$(conda shell.bash hook)" 
conda activate myenv

# Change Directory to the working directory 
cd ${PBS_O_WORKDIR} 

# Run your code
python path/to/your/python_file.py

date

Usage

 

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Gaussian Script

#!/usr/bin/env bash

#PBS -q batch #PBS -l nodes=1:ppn=16

#PBS -l walltime=01:00:00

#PBS -V #PBS -m abe

#PBS -M netid@kennesaw.edu
# Load the Gaussian Modules

module load Gaussian/16_B01

export WORK_DIR=$PBS_O_WORKDIR
cd $WORK_DIR

datestamp=$(date +%Y-%m-%d.%H%M%S) g16 < ${FILE} > ${FILE%.*}.${datestamp}.out

Usage

[barney@hpc ~]$ qsub run_gaussian.pbs -vFILE=${PWD}/mpi_script.com